N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide

C13H22N2O2S — CID 18921278

IUPACN-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide
SMILESCCN(CC)c1ccccc1CCNS(C)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-4-15(5-2)13-9-7-6-8-12(13)10-11-14-18(3,16)17/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyKCJAMGUMSHQMDW-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.62
Rot. Bonds7

About N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide

N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide (PubChem CID 18921278) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide
PubChem CID18921278
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide
SMILESCCN(CC)c1ccccc1CCNS(C)(=O)=O
InChIInChI=1S/C13H22N2O2S/c1-4-15(5-2)13-9-7-6-8-12(13)10-11-14-18(3,16)17/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyKCJAMGUMSHQMDW-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(diethylamino)phenyl]propanal
CID 117293834
N-[2-[3-amino-4-(diethylamino)phenyl]ethyl]methanesulfonamide
CID 18432255
3-[2-(diethylamino)phenyl]propanoic acid
CID 28807035
N,N-diethyl-2-tetradecylaniline
CID 174968548
N,N-diethyl-2-heptadecylaniline
CID 175210337
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
N,N-diethyl-2-pentadecylaniline;hydrochloride
CID 174968496
N,N-diethyl-2-octylaniline;hydrobromide
CID 175207974
N,N-diethyl-2-nonadecylaniline;hydrochloride
CID 175368767
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
CID 62392443
2-[2-(diethylamino)phenyl]-N,N-diethylaniline
CID 158417392
N-[3-(diethylamino)-2-ethylphenyl]methanesulfonamide;hydrochloride
CID 67638849

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide (CID 18921278) is N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide is CCN(CC)c1ccccc1CCNS(C)(=O)=O.
What is the InChIKey of N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide?
The InChIKey is KCJAMGUMSHQMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-15(5-2)13-9-7-6-8-12(13)10-11-14-18(3,16)17/h6-9,14H,4-5,10-11H2,1-3H3.
What are the key properties of N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide?
N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 18921278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).